Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0H2VA
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| Former ID |
DNC004678
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| Drug Name |
LUF-5853
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| Synonyms |
LUF-5853; CHEMBL176295; SCHEMBL6105939; KQKVGJJOJHCKQA-UHFFFAOYSA-N; BDBM50163463; 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-6-(2-hydroxyethylthio)pyridine-3,5-dicarbonitrile; 2-Amino4-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethyl)sulfanyl-3,5-pyridinedicarbonitrile; 2-Amino-4-benzo[1,3]dioxol-5-yl-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H12N4O3S
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| Canonical SMILES |
C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCCO)N)C#N
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| InChI |
1S/C16H12N4O3S/c17-6-10-14(9-1-2-12-13(5-9)23-8-22-12)11(7-18)16(20-15(10)19)24-4-3-21/h1-2,5,21H,3-4,8H2,(H2,19,20)
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| InChIKey |
KQKVGJJOJHCKQA-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A1 receptor (ADORA1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | cGMP-PKG signaling pathway | |||
| cAMP signaling pathway | ||||
| Sphingolipid signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Morphine addiction | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| RANKL Signaling Pathway | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Reactome | Adenosine P1 receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A new generation of adenosine receptor antagonists: from di- to trisubstituted aminopyrimidines. Bioorg Med Chem. 2008 Mar 15;16(6):2741-52. | |||
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